2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol

C13H26O — CID 64766518

IUPAC2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)C(C)C)C(O)C1
InChIInChI=1S/C13H26O/c1-9(2)13(4,5)11-7-6-10(3)8-12(11)14/h9-12,14H,6-8H2,1-5H3
InChIKeyRYXUCGWSDPIMDO-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.47
Rot. Bonds2

About 2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol

2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol (PubChem CID 64766518) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol
PubChem CID64766518
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)C(C)C)C(O)C1
InChIInChI=1S/C13H26O/c1-9(2)13(4,5)11-7-6-10(3)8-12(11)14/h9-12,14H,6-8H2,1-5H3
InChIKeyRYXUCGWSDPIMDO-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 68635053
(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 167591584
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol
CID 130130703
2-[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]-2-methylpropanenitrile
CID 130129826
5-methyl-2-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 64766519
(1R,2S,5R)-2-[2-[(3R,4R)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10586997
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol?
The IUPAC name of 2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol (CID 64766518) is 2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol is CC1CCC(C(C)(C)C(C)C)C(O)C1.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol?
The InChIKey is RYXUCGWSDPIMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-9(2)13(4,5)11-7-6-10(3)8-12(11)14/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol?
2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol is sourced from PubChem (CID 64766518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).